SCHEMBL15720164

SCHEMBL15720164

COc1cc(OCCOCCOCCN2CCOCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24398649 0.82 TSHR (0.67) TSHRALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL15720852 0.82 TSHR (0.56) TSHRALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL27289111 0.81 NPC1 (0.56) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL16150299 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL16106244 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL16106495 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL15516520 0.79 CHRNB4 (0.52) TSHRALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL30695917 0.79 KDM4E (0.54) TSHRALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL29739432 0.79 CHRNB4 (0.52) TSHRALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL15720773 0.79 LMNA (0.47) TSHRALDH1A1SMN1; SMN2KDM4ENPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981535-B1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS TOPIVERT PHARMA LTD (GB) 2020-12-16 EP disclosed
US-10435361-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-10-08 US disclosed
US-20180044288-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2018-02-15 US disclosed
US-9790174-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-17 US disclosed
US-9732063-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-08-15 US disclosed
US-20160376232-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-12-29 US disclosed
US-9481648-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2016-11-01 US disclosed
EP-2925742-B1 KINASE INHIBITORS RESPIVERT LTD (GB) 2016-10-26 EP disclosed
EP-2981535-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS Respivert Limited (GB) 2016-02-10 EP disclosed
US-20150329523-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2015-11-19 US disclosed
EP-2925742-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-10-07 EP disclosed
US-20150166483-A1 KINASE INHIBITORS RESPIVERT LTD (GB) 2015-06-18 US disclosed
WO-2014162126-A1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-10-09 WO disclosed
US-20140296208-A1 KINASE INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2014-10-02 US disclosed
WO-2014076484-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-05-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180044288-A1 KINASE INHIBITORS SYK, LYN, BTK TSHR 1512/4885ALDH1A1 4408/4885SMN1; SMN2 4352/4885
US-20160376232-A1 KINASE INHIBITORS LYN, SYK, LCK TSHR 3901/4885ALDH1A1 3120/4885SMN1; SMN2 4107/4885
US-20150166483-A1 KINASE INHIBITORS LCK, SYK, FYN TSHR 3858/4885ALDH1A1 4277/4885SMN1; SMN2 4668/4885
US-20150329523-A1 KINASE INHIBITORS SYK, SRC, BTK TSHR 1905/4885ALDH1A1 4202/4885SMN1; SMN2 4223/4885
US-10435361-B2 Kinase inhibitors SYK, LYN, BTK TSHR 1512/4885ALDH1A1 4408/4885SMN1; SMN2 4352/4885
US-20140296208-A1 KINASE INHIBITORS SYK, LYN, BTK TSHR 1512/4885ALDH1A1 4408/4885SMN1; SMN2 4352/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.